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Compile Data Set for Download or QSAR

Found 40 hits of ic50 data for polymerid = 50001128,50006262,50006973,7323   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM50033631
PNG
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C50H65N7O14S2/c1-6-7-16-37(45(62)56-41(28-43(59)60)48(65)70-24-22-31-13-9-8-10-14-31)54-47(64)40(27-33-29-51-36-17-12-11-15-35(33)36)53-42(58)30-52-44(61)38(23-25-72-5)55-46(63)39(57-49(66)71-50(2,3)4)26-32-18-20-34(21-19-32)73(67,68)69/h8-15,17-21,29,37-41,51H,6-7,16,22-28,30H2,1-5H3,(H,52,61)(H,53,58)(H,54,64)(H,55,63)(H,56,62)(H,57,66)(H,59,60)(H,67,68,69)/t37-,38-,39-,40+,41-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini

J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM50033632
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini

J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM50033636
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini

J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM50033636
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells

J Med Chem 36: 3021-8 (1993)


BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.

J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50005684
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-diethylamin...)
Show SMILES CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(5-2)17-12-18-25-21(24)22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.

J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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n/an/a 46n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.

J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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n/an/a 52n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.

J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50005682
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-dimethylami...)
Show SMILES CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO2/c1-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)24-17-11-10-16-22(2)3/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3
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n/an/a 190n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.

J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50005683
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-diethylamin...)
Show SMILES CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.

J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
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n/an/a 480n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
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n/an/a 940n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))		BDBM50120847
PNG
(CHEMBL3618487)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1NC1=C[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:24|
Show InChI InChI=1S/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7-8,10-48H,3-6H2,1H3/t7-,8-,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
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n/an/a 2.59E+3n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed...

Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50005680
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 5-diethylamin...)
Show SMILES CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.

J Med Chem 35: 1290-5 (1992)


BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50115579
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza A virus (A/X-31(H3N2)) N-terminal 6xHis-tagged PA-Nter (1 to 217 residues) expressed in Escherichia coli BL21-Cod...

Bioorg Med Chem 26: 4544-4550 (2018)


Article DOI: 10.1016/j.bmc.2018.07.046
BindingDB Entry DOI: 10.7270/Q2TM7DS6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polymerase acidic protein


(Influenza B virus (B/Lee/40))		BDBM50409801
PNG
(CHEMBL16525)
Show SMILES OC(=O)c1cccc(NC(=O)Nc2ccc3c(C(=O)c4ccccc4)c(O)n(O)c3c2)c1
Show InChI InChI=1S/C23H17N3O6/c27-20(13-5-2-1-3-6-13)19-17-10-9-16(12-18(17)26(32)21(19)28)25-23(31)24-15-8-4-7-14(11-15)22(29)30/h1-12,28,32H,(H,29,30)(H2,24,25,31)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza B/Lee/40 RNP

J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122447
PNG
(CHEMBL3622460)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCCCCNC(=O)c1cc2cc(O)c(O)cc2[nH]1
Show InChI InChI=1S/C22H22N4O6/c27-17-7-11-5-15(25-13(11)9-19(17)29)21(31)23-3-1-2-4-24-22(32)16-6-12-8-18(28)20(30)10-14(12)26-16/h5-10,25-30H,1-4H2,(H,23,31)(H,24,32)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50117671
PNG
(CHEMBL3613775)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza A virus (A/X-31(H3N2)) N-terminal 6xHis-tagged PA-Nter (1 to 217 residues) expressed in Escherichia coli BL21-Cod...

Bioorg Med Chem 26: 4544-4550 (2018)


Article DOI: 10.1016/j.bmc.2018.07.046
BindingDB Entry DOI: 10.7270/Q2TM7DS6
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza B virus (B/Lee/40))		BDBM50409787
PNG
(CHEMBL16377)
Show SMILES CC(=O)c1c(O)n(O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C21H16N2O4/c1-12(24)19-17-9-8-16(11-18(17)23(27)21(19)26)22-20(25)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,26-27H,1H3,(H,22,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza B/Lee/40 RNP

J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza B virus (B/Lee/40))		BDBM50409802
PNG
(CHEMBL277536)
Show SMILES Oc1c(C(=O)c2ccccc2)c2ccc(NC(=O)\C=C\c3ccccc3Cl)cc2n1O
Show InChI InChI=1S/C24H17ClN2O4/c25-19-9-5-4-6-15(19)10-13-21(28)26-17-11-12-18-20(14-17)27(31)24(30)22(18)23(29)16-7-2-1-3-8-16/h1-14,30-31H,(H,26,28)/b13-10+
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n/an/a 2.60E+4n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza B/Lee/40 RNP

J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50351096
PNG
(ASCORBIC ACID)
Show SMILES OC[C@H](O)[C@H]1OC(=O)C(=O)C1O |r|
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3?,5+/m0/s1
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n/an/a 2.65E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of malt Alpha-amylase by Megazyme assay

Bioorg Med Chem Lett 10: 1575-6 (2000)


BindingDB Entry DOI: 10.7270/Q2R49R9C
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50090254
PNG
((R)-5-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-3,4-di...)
Show SMILES CC1(C)OC[C@H](O1)c1oc(O)c(O)c1O
Show InChI InChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,10-12H,3H2,1-2H3/t4-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of malt Alpha-amylase by Megazyme assay

Bioorg Med Chem Lett 10: 1575-6 (2000)


BindingDB Entry DOI: 10.7270/Q2R49R9C
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza B virus (B/Lee/40))		BDBM50409780
PNG
(CHEMBL16239)
Show SMILES Oc1c(C(=O)c2ccccc2)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2n1O
Show InChI InChI=1S/C26H18N2O4/c29-24(17-7-2-1-3-8-17)23-21-13-12-20(15-22(21)28(32)26(23)31)27-25(30)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,31-32H,(H,27,30)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza B/Lee/40 RNP

J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza B virus (B/Lee/40))		BDBM50409792
PNG
(CHEMBL275631)
Show SMILES Oc1c(C(=O)c2ccccc2)c2ccc(NC(=O)c3ccccc3)cc2n1O
Show InChI InChI=1S/C22H16N2O4/c25-20(14-7-3-1-4-8-14)19-17-12-11-16(13-18(17)24(28)22(19)27)23-21(26)15-9-5-2-6-10-15/h1-13,27-28H,(H,23,26)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza B/Lee/40 RNP

J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)		BDBM50451094
PNG
(Ascorbyl Palmitate | Ascorbyl palmitate (E5) | E30...)
Show SMILES [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)COC(=O)CCCCCCCCCCCCCCC |c:6|
Show InChI InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
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n/an/a 6.25E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of malt Alpha-amylase by Megazyme assay

Bioorg Med Chem Lett 10: 1575-6 (2000)


BindingDB Entry DOI: 10.7270/Q2R49R9C
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122443
PNG
(CHEMBL3622457)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H20N4O4/c26-18-10-13-9-17(25-15(13)11-19(18)27)21(29)23-7-3-6-22-20(28)16-8-12-4-1-2-5-14(12)24-16/h1-2,4-5,8-11,24-27H,3,6-7H2,(H,22,28)(H,23,29)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50463502
PNG
(CHEMBL4247561)
Show SMILES Oc1cc2[nH]cc(C(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)c2cc1O
Show InChI InChI=1S/C23H25FN2O3/c24-17-3-1-15(2-4-17)11-16-5-8-26(9-6-16)10-7-21(27)19-14-25-20-13-23(29)22(28)12-18(19)20/h1-4,12-14,16,25,28-29H,5-11H2
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n/an/a 2.43E+5n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza A virus (A/X-31(H3N2)) N-terminal 6xHis-tagged PA-Nter (1 to 217 residues) expressed in Escherichia coli BL21-Cod...

Bioorg Med Chem 26: 4544-4550 (2018)


Article DOI: 10.1016/j.bmc.2018.07.046
BindingDB Entry DOI: 10.7270/Q2TM7DS6
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50463503
PNG
(CHEMBL3103130)
Show SMILES Oc1cc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2cc1O
Show InChI InChI=1S/C22H22N2O4/c25-19-11-16-17(13-23-18(16)12-20(19)26)21(27)22(28)24-8-6-15(7-9-24)10-14-4-2-1-3-5-14/h1-5,11-13,15,23,25-26H,6-10H2
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n/an/a 2.66E+5n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza A virus (A/X-31(H3N2)) N-terminal 6xHis-tagged PA-Nter (1 to 217 residues) expressed in Escherichia coli BL21-Cod...

Bioorg Med Chem 26: 4544-4550 (2018)


Article DOI: 10.1016/j.bmc.2018.07.046
BindingDB Entry DOI: 10.7270/Q2TM7DS6
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122445
PNG
(CHEMBL463072)
Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O
Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122444
PNG
(CHEMBL3622458)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)CC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O4/c20-14(16-11-4-2-1-3-5-11)10-15(21)18-17-12-6-8-13(9-7-12)19(22)23/h1-9,17H,10H2,(H,16,20)(H,18,21)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122442
PNG
(CHEMBL3622456)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C14H18N4O3/c1-19-11-7-9-10(8-12(11)20-2)16-14(17-13(9)15)18-3-5-21-6-4-18/h7-8H,3-6H2,1-2H3,(H2,15,16,17)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122441
PNG
(CHEMBL3622455)
Show SMILES OC(=O)CCc1nnc(SCc2ccc(Cl)cc2)nc1O
Show InChI InChI=1S/C13H12ClN3O3S/c14-9-3-1-8(2-4-9)7-21-13-15-12(20)10(16-17-13)5-6-11(18)19/h1-4H,5-7H2,(H,18,19)(H,15,17,20)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122440
PNG
(CHEMBL3622454)
Show SMILES OC(=O)CCc1nn2c(nc3ccccc23)nc1O
Show InChI InChI=1S/C12H10N4O3/c17-10(18)6-5-8-11(19)14-12-13-7-3-1-2-4-9(7)16(12)15-8/h1-4H,5-6H2,(H,17,18)(H,13,14,19)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122446
PNG
(CHEMBL3622459)
Show SMILES Cc1[nH]nc2oc(=O)cc(C)c12
Show InChI InChI=1S/C8H8N2O2/c1-4-3-6(11)12-8-7(4)5(2)9-10-8/h3H,1-2H3,(H,9,10)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122438
PNG
(CHEMBL1611341)
Show SMILES OC(=O)CC1N(CCCc2ccccc2)CCNC1=O
Show InChI InChI=1S/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122371
PNG
(CHEMBL3622452)
Show SMILES OC(=O)c1nccnc1C(=O)Nc1nc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C12H8N6O3S/c19-10(7-8(11(20)21)14-4-3-13-7)16-12-15-9(17-18-12)6-2-1-5-22-6/h1-5H,(H,20,21)(H2,15,16,17,18,19)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122370
PNG
(CHEMBL3622451)
Show SMILES CNC(=O)c1cccc(Nc2nc(O)nc(O)c2C#N)c1
Show InChI InChI=1S/C13H11N5O3/c1-15-11(19)7-3-2-4-8(5-7)16-10-9(6-14)12(20)18-13(21)17-10/h2-5H,1H3,(H,15,19)(H3,16,17,18,20,21)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122369
PNG
(CHEMBL3622450)
Show SMILES Cc1nc(SCc2ccccc2)nc(O)c1CC(O)=O
Show InChI InChI=1S/C14H14N2O3S/c1-9-11(7-12(17)18)13(19)16-14(15-9)20-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122368
PNG
(CHEMBL3622449)
Show SMILES OC(=O)C1C(C(C(C(C1C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O |(1.06,-3.7,;-0,-3.08,;-1.07,-3.7,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-2.78,;-2.67,1.54,;-2.67,2.77,;-3.74,.92,;-0,3.08,;1.06,3.7,;-1.07,3.7,;2.67,1.54,;3.73,.93,;2.66,2.78,;2.67,-1.54,;3.73,-.93,;2.66,-2.78,)|
Show InChI InChI=1S/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))		BDBM50122439
PNG
(CHEMBL3622453)
Show SMILES Cc1cc(NC(=O)c2c(O)nc(O)[nH]c2=O)no1
Show InChI InChI=1S/C9H8N4O5/c1-3-2-4(13-18-3)10-6(14)5-7(15)11-9(17)12-8(5)16/h2H,1H3,(H,10,13,14)(H3,11,12,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...

ACS Med Chem Lett 6: 866-71 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00109
BindingDB Entry DOI: 10.7270/Q27S7QKP
More data for this
Ligand-Target Pair